Quantum control of molecular rotation

CP Koch, M Lemeshko, D Sugny - Reviews of Modern Physics, 2019‏ - APS
The angular momentum of molecules, or, equivalently, their rotation in three-dimensional
space, is ideally suited for quantum control. Molecular angular momentum is naturally …

Quantum State–Resolved Structure and Dynamics of C60 Fullerenes

LR Liu, J Ye - Annual Review of Physical Chemistry, 2025‏ - annualreviews.org
The C60 fullerene molecule has been the subject of intense study for four decades, starting
with its identification in the mass spectra of carbon soot in 1985. In this review, we focus on …

High-order contact transformations of molecular Hamiltonians: general approach, fast computational algorithm and convergence of ro-vibrational polyad models

V Tyuterev, S Tashkun, M Rey, A Nikitin - Molecular Physics, 2022‏ - Taylor & Francis
The paper describes methods and fast computational algorithm for building effective
Hamiltonians in molecular physics using perturbative approach. Separations of fast and …

Ergodicity breaking in rapidly rotating C60 fullerenes

LR Liu, D Rosenberg, PB Changala, PJD Crowley… - Science, 2023‏ - science.org
Ergodicity, the central tenet of statistical mechanics, requires an isolated system to explore
all available phase space constrained by energy and symmetry. Mechanisms for violating …

Accurate spectroscopic models for methane polyads derived from a potential energy surface using high-order contact transformations

V Tyuterev, S Tashkun, M Rey… - The Journal of …, 2013‏ - ACS Publications
A new spectroscopic model is developed for theoretical predictions of vibration–rotation line
positions and line intensities of the methane molecule. Resonance coupling parameters of …

First fully ab initio potential energy surface of methane with a spectroscopic accuracy

AV Nikitin, M Rey, VG Tyuterev - The Journal of Chemical Physics, 2016‏ - pubs.aip.org
Full 9-dimensional ab initio potential energy surfaces for the methane molecule are
constructed using extended electronic structure coupled-cluster calculations with various …

Topological Chern indices in molecular spectra

F Faure, B Zhilinskii - Physical review letters, 2000‏ - APS
Topological Chern indices are related to the number of rotational states in each molecular
vibrational band. Modification of the indices is associated to the appearance of “band …

Symmetry, invariants, and topology in molecular models

BI Zhilinskiı - Physics Reports, 2001‏ - Elsevier
Description of intra-molecular dynamical behavior is usually made in terms of effective
Hamiltonians for different degrees of freedom. In such a way, rotational, vibrational …

Bifurcations in quantum rotational spectra

IM Pavlichenkov - Physics reports, 1993‏ - Elsevier
The nonlinear effects in rotational spectra of molecules and atomic nuclei caused by the
centrifugal and Coriolis forces are investigated for high values of angular-momentum …

Bifurcation in rotational spectra of nonlinear AB2 molecules

IN Kozin, IM Pavlichenkov - The Journal of chemical physics, 1996‏ - pubs.aip.org
A classical microscopic theory of rovibrational motion at high angular momenta in
symmetrical nonlinear molecules AB2 is derived within the framework of small oscillations …